## Abstract Chemists do not take the view that chemistry can be derived from quantum mechanics by computations too literally; the difficulties are illustrated by the double bond concept. Quantum mechanics is very useful, but recent calculations have been mainly concerned with physical properties ra
Chemical bonding: state of the art in conceptual quantum chemistry An introduction
✍ Scribed by W. H. Eugen Schwarz
- Publisher
- Springer
- Year
- 2001
- Tongue
- English
- Weight
- 208 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1432-2234
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Insertion of ethylene into the Ti᎐methyl bond in TiH CH q is 2 3 chosen as a model reaction for investigating the performance of a range of contemporary quantum chemical models in polymerization studies. Basis set effects are investigated at the self-consistent-field level, covering Hartree᎐Fock, pu
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